Honyumine

Details

• Internal ID: a01d0c8b-5ba8-4ba6-a9cf-a5581bc1b89b
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
• IUPAC Name: 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one
• SMILES (Canonical): CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C
• SMILES (Isomeric): CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C
• InChI: InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12-15(17(10)23)18(24)11-5-6-13(22)19(25-4)16(11)21(12)3/h5-9,22-23H,1-4H3
• InChI Key: DCEKPLXGLUMXMB-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₉NO₅
• Molecular Weight: 353.40 g/mol
• Exact Mass: 353.12632271 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: 3.80

Synonyms

• SJW3UM0K3D
• UNII-SJW3UM0K3D
• 100595-86-6
• 10-Methoxy-2,2,11-trimethyl-5,9-bis(oxidanyl)pyrano(3,2-b)acridin-6-one
• 2,11-Dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6H-pyrano(3,2-b)acridin-6-one
• 6H-Pyrano(3,2-b)acridin-6-one, 2,11-dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-
• 2,11-Dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6H-pyrano[3,2-b]acridin-6-one
• CHEBI:174756
• DTXSID001128683
• 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.00%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.12%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.33%	89.00%
CHEMBL2581	P07339	Cathepsin D	95.23%	98.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	95.18%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.81%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.82%	99.15%
CHEMBL1951	P21397	Monoamine oxidase A	93.18%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.10%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.52%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.15%	85.14%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	90.11%	80.78%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.91%	86.33%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	88.91%	94.42%
CHEMBL4208	P20618	Proteasome component C5	88.51%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.11%	99.23%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	83.55%	96.77%
CHEMBL1937	Q92769	Histone deacetylase 2	82.95%	94.75%
CHEMBL2535	P11166	Glucose transporter	80.54%	98.75%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.34%	93.65%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.08%	100.00%

Plants that contains it

• Citrus maxima

Cross-Links

• PubChem: 13965865
• LOTUS: LTS0126219
• wikiData: Q104396586